2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

C16H13N2O5- — CID 2306178

IUPAC2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14N2O5/c19-13-7-5-11(6-8-13)16(22)18-17-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9,19H,10H2,(H,18,22)(H,20,21)/p-1
InChIKeyXSKARGLNLJQZKF-UHFFFAOYSA-M
MW313.29 g/mol
LogP0.28
Rot. Bonds6

About 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 2306178) has the molecular formula C16H13N2O5- and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID2306178
Molecular FormulaC16H13N2O5-
Molecular Weight313.29 g/mol
Exact Mass313.08
IUPAC Name2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14N2O5/c19-13-7-5-11(6-8-13)16(22)18-17-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9,19H,10H2,(H,18,22)(H,20,21)/p-1
InChIKeyXSKARGLNLJQZKF-UHFFFAOYSA-M
XLogP0.28
TPSA111.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6978889
2-[2-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 8001644

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 2306178) is 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccccc1C=NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is XSKARGLNLJQZKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O5/c19-13-7-5-11(6-8-13)16(22)18-17-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9,19H,10H2,(H,18,22)(H,20,21)/p-1.
What are the key properties of 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 313.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 2306178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).